SCHEMBL5435635

SCHEMBL5435635

Cn1c(=S)[nH]c(=O)c2sccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PKM P14618 2/20 0.45
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
RXFP1 Q9HBX9 2/20 0.41
PSMB8 P28062 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIA1 P42261 1/20 0.40
PPARG P37231 1/20 0.37
HTT P42858 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
PIM1 P11309 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18689573 0.82 GRIK1 (0.48) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL6299913 0.72 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11045234 0.71 GRIK1 (0.45) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL29831724 0.71 PDE7A (0.44) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL844706 0.70 NTRK1 (0.43) MAPTMEN1KMT2APKMEGLN1
SCHEMBL17383212 0.68 RXFP1 (0.56) ALDH1A1MAPTKDM4ERXFP1PSMB8
SCHEMBL30641970 0.66 GRIK1 (0.46) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL19079882 0.66 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1271477 0.64 EGLN1 (0.37) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL20545540 0.64 EGLN1 (0.37) ALDH1A1MEN1KMT2APKMRXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 ALDH1A1 825/4885MAPT 4636/4885MEN1 4674/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.